methyl 4-[cyanomethyl-(4-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[cyanomethyl-(4-methylsulfanylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[N-(cyanomethyl)-4-methylsulfanyl-anilino]-4-oxo-butanoate CAS Name: 4-[N-(cyanomethyl)-4-(methylthio)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[N-(cyanomethyl)-4-methylsulfanylanilino]-4-oxobutanoate Traditional Name: 4-[N-(cyanomethyl)-4-(methylthio)anilino]-4-keto-butyric acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N(CC#N)C1=CC=C(C=C1)SC

Isomeric SMILES

COC(=O)CCC(=O)N(CC#N)C1=CC=C(C=C1)SC

InChI

InChI=1S/C14H16N2O3S/c1-19-14(18)8-7-13(17)16(10-9-15)11-3-5-12(20-2)6-4-11/h3-6H,7-8,10H2,1-2H3